2-N-(cyclopropylmethyl)-1-N,2-N-diethyl-1-phenylbutane-1,2-diamine

C18H30N2 — CID 63957194

IUPAC2-N-(cyclopropylmethyl)-1-N,2-N-diethyl-1-phenylbutane-1,2-diamine
SMILESCCNC(c1ccccc1)C(CC)N(CC)CC1CC1
InChIInChI=1S/C18H30N2/c1-4-17(20(6-3)14-15-12-13-15)18(19-5-2)16-10-8-7-9-11-16/h7-11,15,17-19H,4-6,12-14H2,1-3H3
InChIKeyFYTVGUFIRHDFGH-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.85
Rot. Bonds9

About 2-N-(cyclopropylmethyl)-1-N,2-N-diethyl-1-phenylbutane-1,2-diamine

2-N-(cyclopropylmethyl)-1-N,2-N-diethyl-1-phenylbutane-1,2-diamine (PubChem CID 63957194) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 2-N-(cyclopropylmethyl)-1-N,2-N-diethyl-1-phenylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(cyclopropylmethyl)-1-N,2-N-diethyl-1-phenylbutane-1,2-diamine
PubChem CID63957194
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name2-N-(cyclopropylmethyl)-1-N,2-N-diethyl-1-phenylbutane-1,2-diamine
SMILESCCNC(c1ccccc1)C(CC)N(CC)CC1CC1
InChIInChI=1S/C18H30N2/c1-4-17(20(6-3)14-15-12-13-15)18(19-5-2)16-10-8-7-9-11-16/h7-11,15,17-19H,4-6,12-14H2,1-3H3
InChIKeyFYTVGUFIRHDFGH-UHFFFAOYSA-N
XLogP3.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-methyl-1,2-diphenylpentan-1-amine
CID 43489095
N,N'-diethyl-2-methyl-1-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 62619592
2-N-(cyclopropylmethyl)-2-N-ethyl-3-methyl-1-phenylbutane-1,2-diamine
CID 63954327
1-N,2-N-dimethyl-2-N-(oxan-4-ylmethyl)-1-phenylbutane-1,2-diamine
CID 63727526
2-(cyclohexylmethoxy)-N-ethyl-1-phenylpropan-1-amine
CID 62383534
N'-cyclopentyl-N,N'-diethyl-2-methyl-1-phenylpropane-1,3-diamine
CID 62617718
N-[(4-ethylcyclohexyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 63451644
N'-(cyclopropylmethyl)-N,N'-diethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine
CID 115996957
ethyl 2-[cyclobutylmethyl(ethyl)amino]-2-phenylacetate
CID 107399619
2-N-(cyclopropylmethyl)-2-N-ethyl-1-(4-methoxyphenyl)-1-N-methylpropane-1,2-diamine
CID 63955565
N-ethyl-1-phenyl-2-propylsulfanylbutan-1-amine
CID 64614895
N-(cyclohexylmethyl)-2-ethyl-1-phenylbutan-1-amine
CID 43734674

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclopropylmethyl)-1-N,2-N-diethyl-1-phenylbutane-1,2-diamine?
The IUPAC name of 2-N-(cyclopropylmethyl)-1-N,2-N-diethyl-1-phenylbutane-1,2-diamine (CID 63957194) is 2-N-(cyclopropylmethyl)-1-N,2-N-diethyl-1-phenylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(cyclopropylmethyl)-1-N,2-N-diethyl-1-phenylbutane-1,2-diamine?
The canonical SMILES for 2-N-(cyclopropylmethyl)-1-N,2-N-diethyl-1-phenylbutane-1,2-diamine is CCNC(c1ccccc1)C(CC)N(CC)CC1CC1.
What is the InChIKey of 2-N-(cyclopropylmethyl)-1-N,2-N-diethyl-1-phenylbutane-1,2-diamine?
The InChIKey is FYTVGUFIRHDFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-17(20(6-3)14-15-12-13-15)18(19-5-2)16-10-8-7-9-11-16/h7-11,15,17-19H,4-6,12-14H2,1-3H3.
What are the key properties of 2-N-(cyclopropylmethyl)-1-N,2-N-diethyl-1-phenylbutane-1,2-diamine?
2-N-(cyclopropylmethyl)-1-N,2-N-diethyl-1-phenylbutane-1,2-diamine has a molecular weight of 274.45 g/mol, XLogP of 3.85, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclopropylmethyl)-1-N,2-N-diethyl-1-phenylbutane-1,2-diamine is sourced from PubChem (CID 63957194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).